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| CAS No.: | 530-47-2 |
|---|---|
| Name: | N,N-Diphenylhydrazinium chloride |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C12H12N2.HCl |
| Molecular Weight: | 220.702 |
| Synonyms: | Hydrazine,1,1-diphenyl-, monohydrochloride (8CI,9CI);1,1-Diphenylhydrazinehydrochloride;1,1-Diphenylhydrazine monohydrochloride;Diphenylhydrazinehydrochloride;N,N-Diphenylhydrazinemonohydrochloride; |
| EINECS: | 208-481-0 |
| Density: | 1.143 g/cm3 |
| Melting Point: | 162-166 °C (dec.) |
| Boiling Point: | 330 °C at 760 mmHg |
| Flash Point: | 180.5 °C |
| Solubility: | soluble in water |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 29.26000 |
| LogP: | 4.20070 |
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Specification
The Hydrazine,1,1-diphenyl-, hydrochloride (1:1), with the CAS registry number 530-47-2 and EINECS registry number 208-481-0, has the the systematic name and IUPAC name of 1,1-diphenylhydrazine hydrochloride. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; pharmacetical; Phenylhydrazine. And the molecular formula of the chemical is C12H12N2.HCl.
The characteristics of Hydrazine,1,1-diphenyl-, hydrochloride (1:1) are as followings: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 78.52; (6)ACD/BCF (pH 7.4): 79.06; (7)ACD/KOC (pH 5.5): 789.21; (8)ACD/KOC (pH 7.4): 794.62; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å2; (13)Flash Point: 180.5 °C; (14)Enthalpy of Vaporization: 57.25 kJ/mol; (15)Boiling Point: 330 °C at 760 mmHg; (16)Vapour Pressure: 0.000171 mmHg at 25°C.
Uses of Hydrazine,1,1-diphenyl-, hydrochloride (1:1): It can react with 3,4-dihydro-2H-thiopyran to produce 1-phenyl-3-[3-(tetrahydro-thiopyran-2-ylsulfanyl)-propyl]-1H-indole. This reaction will need reagent H2O, and the menstruum dioxane. The reaction time is 4 hours with heating, and the yield is about 52%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. What's more, it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.c2(N(N)c1ccccc1)ccccc2
(2)InChI: InChI=1/C12H12N2.ClH/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,13H2;1H
(3)InChIKey: MIVUDWFNUOXEJM-UHFFFAOYAZ